General Information of the Compound
| Compound ID |
CP0460790
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| Compound Name |
2-[5'-chloro-3-methyl-2,2',5-trioxo-1-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]spiro[imidazolidine-4,3'-indole]-1'-yl]acetic acid
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| Structure |
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| Formula |
C20H19ClN4O5S
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| Molecular Weight |
462.915
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| Canonical SMILES |
CC(C)c1nc(CN2C(=O)N(C)C3(C2=O)C(=O)N(CC(O)=O)c2ccc(Cl)cc32)cs1
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| InChI |
InChI=1S/C20H19ClN4O5S/c1-10(2)16-22-12(9-31-16)7-25-18(29)20(23(3)19(25)30)13-6-11(21)4-5-14(13)24(17(20)28)8-15(26)27/h4-6,9-10H,7-8H2,1-3H3,(H,26,27)
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| InChIKey |
SSWSWLJMNUUFRE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound